Geometry & MOs

Info

ID:	147512
PubChem CID:	53787168
Reduced:	SiO2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	687.351966
ΔH_f, kcal/mol:	-142.54
Dipole, Da:	2.92
IP(EA), eV:	-10.02(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(=C)C(=O)O[Si](C)(C)C

DOS

IR

Vibrations